Single Chain Slip-Spring Model for Fast Rheology Simulations of Entangled Polymers on GPU

Abstract

We propose a single chain slip-spring model, which is based on the slip-spring model by Likhtman [A. E. Likhtman, Macromolecules, 38, 6128 (2005)], for fast rheology simulations of entangled polymers on a GPU. We modify the original slip-spring model slightly for efficient calculations on a GPU. Our model is designed to satisfy the detailed balance condition, which enables us to analyze its static or linear response properties easily. We theoretically analyze several statistical properties of the model, such as the linear response, which will be useful to analyze simulation data. We show that our model can reproduce several rheological properties such as the linear viscoelasticity or the viscosity growth qualitatively. We also show that the use of a GPU can improve the performance drastically.

30 pages, 8 figures, 1 table, to appear in Nihon Reoroji Gakkaishi (J. Soc. Rheol. Jpn.)

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• Detailed Balance Condition and Effective Free Energy in the Primitive Chain Network Model
• Plateau Moduli of Several Single-Chain Slip-Link and Slip-Spring Models
• Flow-History-Dependent Behavior in Entangled Polymer Melt Flow with Multiscale Simulation
• Crossover Time in Relative Fluctuations Characterizes the Longest Relaxation Time of Entangled Polymers
• A Transient Bond Model for Dynamic Constraints in Meso-Scale Coarse-Grained Systems
• Multi-chain slip-spring simulations with various slip-spring densities
• Multiscale Simulation of Entangled Polymer Melt with Elastic Deformation
• Application of Projection Operator Method to Coarse-Grained Dynamics with Transient Potential